Geometry & MOs

Info

ID:	432126
PubChem CID:	135172258
Reduced:	N2O2C27H44 (1)
Stoich.:	A2B2C27D44 (1)
Weight, g/mol:	412.283826
ΔH_f, kcal/mol:	-135.16
Dipole, Da:	5.98
IP(EA), eV:	-8.16(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[cyclohexyl(2-methylpropyl)amino]-3-(1H-imidazol-5-ylmethylamino)phenyl]butanoic acid

Drug info:

PubChemData

Smile

CC1CCC(CC1)NC2=C(C=CC(=C2)C(C)CC(=O)O)N(CC(C)C)C3CCCCC3

DOS

IR

Vibrations